ethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate

C19H34O4Si — CID 135020746

IUPACethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate
SMILESC=C(C)C(=O)CCC(C)(/C=C/C(=O)OCC)O[Si](CC)(CC)CC
InChIInChI=1S/C19H34O4Si/c1-8-22-18(21)13-15-19(7,14-12-17(20)16(5)6)23-24(9-2,10-3)11-4/h13,15H,5,8-12,14H2,1-4,6-7H3/b15-13+
InChIKeyUEJCSJVDCTVOOL-FYWRMAATSA-N
MW354.56 g/mol
LogP4.81
Rot. Bonds12

About ethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate

ethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate (PubChem CID 135020746) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is ethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate.

Molecular Properties

Compound Nameethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate
PubChem CID135020746
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Nameethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate
SMILESC=C(C)C(=O)CCC(C)(/C=C/C(=O)OCC)O[Si](CC)(CC)CC
InChIInChI=1S/C19H34O4Si/c1-8-22-18(21)13-15-19(7,14-12-17(20)16(5)6)23-24(9-2,10-3)11-4/h13,15H,5,8-12,14H2,1-4,6-7H3/b15-13+
InChIKeyUEJCSJVDCTVOOL-FYWRMAATSA-N
XLogP4.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 78065069
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ethyl 4-amino-4-methylpent-2-enoate
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ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate
CID 5468978
ethyl 5-hydroxy-4,4-dimethylpent-2-enoate
CID 54252815
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
calcium (E)-4-ethoxy-4-oxobut-2-enoate
CID 22568505
ethyl (Z)-4-amino-4-oxobut-2-enoate
CID 87434500
ethyl 4,4,5,5-tetrafluoropent-2-enoate
CID 123355611
bis(prop-2-enyl) (E)-but-2-enedioate;diethyl (Z)-but-2-enedioate
CID 135146372
6,6-difluoro-2-methylhept-1-en-3-one
CID 123315097
ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate
CID 10893618

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate?
The IUPAC name of ethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate (CID 135020746) is ethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate.
What is the SMILES notation for ethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate?
The canonical SMILES for ethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate is C=C(C)C(=O)CCC(C)(/C=C/C(=O)OCC)O[Si](CC)(CC)CC.
What is the InChIKey of ethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate?
The InChIKey is UEJCSJVDCTVOOL-FYWRMAATSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-8-22-18(21)13-15-19(7,14-12-17(20)16(5)6)23-24(9-2,10-3)11-4/h13,15H,5,8-12,14H2,1-4,6-7H3/b15-13+.
What are the key properties of ethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate?
ethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate has a molecular weight of 354.56 g/mol, XLogP of 4.81, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate is sourced from PubChem (CID 135020746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).